def get_residue_atom_indices(mdl, start, end):
iatmr1 = _modeller.mod_coordinates_iatmr1_get(mdl.cdpt)
startind = _modeller.mod_int1_get(iatmr1, start) - 1
if end < mdl.nres:
endind = _modeller.mod_int1_get(iatmr1, end) - 1
else:
endind = mdl.natm
return (startind, endind)
def __get_atom_types(self):
atc = self.__atclass._modpt
iattmod = _modeller.mod_atom_classes_iattmod_get(atc)
ngrpatm = _modeller.mod_atom_classes_ngrpatm_get(atc)
first_entry = _modeller.mod_int1_get(iattmod, self.__indx) - 1
if self.__indx == ngrpatm - 1:
last_entry = _modeller.mod_atom_classes_nattmod_get(atc)
else:
last_entry = _modeller.mod_int1_get(iattmod, self.__indx + 1) - 1
types = []
for i in range(first_entry, last_entry):
types.append(
_AtomType(_modeller.mod_atom_classes_residue_get(atc, i),
_modeller.mod_atom_classes_atom_get(atc, i)))
return tuple(types)
def __get_type(self):
iattyp = _modeller.mod_model_iattyp_get(self.mdl.modpt)
t = _modeller.mod_int1_get(iattyp, self._num)
if t == 0:
return None
else:
return AtomType(self.mdl, t - 1)
def __len__(self):
nseq = _modeller.mod_sequence_db_nseqdb_get(self.sdb.modpt)
return _modeller.mod_int1_get(nseq, self.num)
def _get_resind(self):
iress1 = _modeller.mod_sequence_iress1_get(self.seq.seqpt)
iress2 = _modeller.mod_sequence_iress2_get(self.seq.seqpt)
return (_modeller.mod_int1_get(iress1, self._num) - 1,
_modeller.mod_int1_get(iress2, self._num))
def __get_type(self):
irestyp = _modeller.mod_sequence_irestyp_get(self.mdl.seqpt)
return _modeller.mod_int1_get(irestyp, self._num)
def __get_gprsr_class(self):
iatta = _modeller.mod_model_iatta_get(self.mdl.modpt)
return _modeller.mod_int1_get(iatta, self._num)
def __get_type(self):
iattyp = _modeller.mod_model_iattyp_get(self.mdl.modpt)
return AtomType(self.mdl, _modeller.mod_int1_get(iattyp, self._num)-1)
def __get_residue(self):
iresatm = _modeller.mod_coordinates_iresatm_get(self.mdl.cdpt)
resind = _modeller.mod_int1_get(iresatm, self._num) - 1
return self.mdl.residues[resind]
def __get_neqv(self):
neqv = _modeller.mod_profile_neqv_get(self._prf.modpt)
return _modeller.mod_int1_get(neqv, self._num)
def __get_iter(self):
iter = _modeller.mod_profile_iter_get(self._prf.modpt)
return _modeller.mod_int1_get(iter, self._num)
def __len__(self):
nres = _modeller.mod_profile_nres_get(self._prf.modpt)
return _modeller.mod_int1_get(nres, self._num)
